A3773/0160093
TL;DR: A3773/0160093 (CAS 727677-25-0) is a chemical compound with molecular formula C18H19F3N4OS and molecular weight 396.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-cyclopentyl-2-sulfanylidene-1-[3-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one
Also Known As: A3773/0160093, 6-cyclopentyl-2-thioxo-1-(3-(trifluoromethyl)phenyl)-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one, 6-cyclopentyl-2-sulfanyl-1-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4(1H)-one, 6-CYCLOPENTYL-2-SULFANYLIDENE-1-[3-(TRIFLUOROMETHYL)PHENYL]-1H,2H,3H,4H,5H,6H,7H,8H-[1,3]DIAZINO[4,5-D]PYRIMIDIN-4-ONE, 6-cyclopentyl-2-sulfanylidene-1-[3-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one
| Molecular Formula | C18H19F3N4OS |
|---|---|
| Molecular Weight | 396.12 g/mol |
| LogP | 4.04149 |
| Topological Polar Surface Area | 53.06 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 396.12317 |
| Heavy Atoms | 27 |
| Complexity | 975.7927 |
Chemical Identifiers
| CAS Number | 727677-25-0 |
|---|---|
| SMILES | C1CCC(C1)N2CC3=C(NC2)N(C(=S)NC3=O)C4=CC=CC(=C4)C(F)(F)F |
Product Overview
A3773/0160093 (CAS 727677-25-0), with molecular formula C18H19F3N4OS and molecular weight 396.12 g/mol. IUPAC: 6-cyclopentyl-2-sulfanylidene-1-[3-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one.
Chemical Property Profile of A3773/0160093
Property Insights of A3773/0160093
The XLogP value of 4.04149 indicates that A3773/0160093 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.06 Ų, A3773/0160093 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A3773/0160093 has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A3773/0160093?
The CAS number of A3773/0160093 is 727677-25-0.
What is the molecular formula of A3773/0160093?
The molecular formula of A3773/0160093 is C18H19F3N4OS.
What is the molecular weight of A3773/0160093?
The molecular weight of A3773/0160093 is 396.12 g/mol.
Where can I buy A3773/0160093?
You can request a quote for A3773/0160093 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3773/0160093?
Yes, KEHONG BIO provides custom synthesis services for A3773/0160093 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.